5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate

C16H12BrClNO4- — CID 9320369

IUPAC5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)[O-]
InChIInChI=1S/C16H13BrClNO4/c1-2-23-14-6-4-10(18)8-12(14)15(20)19-13-5-3-9(17)7-11(13)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyLUZJSOOPTLPWAV-UHFFFAOYSA-M
MW397.63 g/mol
LogP3.12
Rot. Bonds5

About 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate

5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate (PubChem CID 9320369) has the molecular formula C16H12BrClNO4- and a molecular weight of 397.63 g/mol. Its IUPAC name is 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
PubChem CID9320369
Molecular FormulaC16H12BrClNO4-
Molecular Weight397.63 g/mol
Exact Mass395.96
IUPAC Name5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)[O-]
InChIInChI=1S/C16H13BrClNO4/c1-2-23-14-6-4-10(18)8-12(14)15(20)19-13-5-3-9(17)7-11(13)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyLUZJSOOPTLPWAV-UHFFFAOYSA-M
XLogP3.12
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
CID 54783487
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate?
The IUPAC name of 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate (CID 9320369) is 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate is CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)[O-].
What is the InChIKey of 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate?
The InChIKey is LUZJSOOPTLPWAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13BrClNO4/c1-2-23-14-6-4-10(18)8-12(14)15(20)19-13-5-3-9(17)7-11(13)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate?
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate has a molecular weight of 397.63 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 9320369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).